CID 15787730

Cl2NiO6S2 — CID 15787730

IUPAC—
SMILESO=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Ni+2]
InChIInChI=1S/2ClHO3S.Ni/c2*1-5(2,3)4;/h2*(H,2,3,4);/q;;+2/p-2
InChIKeyRWFIIMYFVGBTNN-UHFFFAOYSA-L
MW289.73 g/mol
LogP-0.63
Rot. Bonds

About CID 15787730

CID 15787730 (PubChem CID 15787730) has the molecular formula Cl2NiO6S2 and a molecular weight of 289.73 g/mol.

Molecular Properties

Compound NameCID 15787730
PubChem CID15787730
Molecular FormulaCl2NiO6S2
Molecular Weight289.73 g/mol
Exact Mass287.79
IUPAC Name—
SMILESO=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Ni+2]
InChIInChI=1S/2ClHO3S.Ni/c2*1-5(2,3)4;/h2*(H,2,3,4);/q;;+2/p-2
InChIKeyRWFIIMYFVGBTNN-UHFFFAOYSA-L
XLogP-0.63
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 5-0.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 15787730?
The IUPAC name of CID 15787730 (CID 15787730) is not available.
What is the SMILES notation for CID 15787730?
The canonical SMILES for CID 15787730 is O=S(=O)([O-])Cl.O=S(=O)([O-])Cl.[Ni+2].
What is the InChIKey of CID 15787730?
The InChIKey is RWFIIMYFVGBTNN-UHFFFAOYSA-L. The full InChI is InChI=1S/2ClHO3S.Ni/c2*1-5(2,3)4;/h2*(H,2,3,4);/q;;+2/p-2.
What are the key properties of CID 15787730?
CID 15787730 has a molecular weight of 289.73 g/mol, XLogP of -0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 15787730 is sourced from PubChem (CID 15787730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).